butyl N-(3-hydroxyphenyl)carbamate
Basic information
- CAS
13683-93-7- Standard SMILES
CCCCOC(=O)Nc1cccc(O)c1- InChIKey
TVPNKCCDZVUNFP-UHFFFAOYSA-N- Molecular formula
- C11H15NO3
- Average molar mass
- 209.24 g/mol
- Monoisotopic mass
- 209.10519334
Names & identifiers
- Preferred name
- butyl N-(3-hydroxyphenyl)carbamate
- IUPAC
- butyl N-(3-hydroxyphenyl)carbamate
- English name
- N-Boc-3-aminophenol 97
- Molecular formula
- C11H15NO3
- Molecular weight
- 209.24
Names & synonyms
butyl N-(3-hydroxyphenyl)carbamate13683-93-7Carbamic acid, (3-hydroxyphenyl)-, butyl ester (9CI)NSC222563SCHEMBL27322302SCHEMBL27422626Butyl (3-hydroxyphenyl)carbamateDTXSID20310133AKOS015915795NSC-222563N-Boc-3-aminophenol 97t-Butyl N-(3-hydroxyphenyl)carbaMate
Database identifiers
- CAS
13683-93-7- PubChem CID
- 312463
- DTXSID
DTXSID20310133
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 58.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 196
Physicochemical properties
- Melting point
- 134 · 134-138 °C(lit.)
- Boiling point
- 299.3 · 299.3±23.0 °C(Predicted)
- Density
- 1.183 · 1.183±0.06 g/cm3(Predicted)
- pka
- 9.69 · 9.69±0.10(Predicted)
- Comptox DTXSID
- 20310133 · DTXSID20310133
- Hazard Codes
- Xi
- Risk Statements
- 43 · 43
- Safety Statements
- 26 · 26-36/37
- WGK Germany
- 3 · 3
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- 3
- risk_code
- 43
- hazard_code
- Xi
- safety_code
- 26-36/37
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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